2-(4-bromophenyl)-N-[5-[[2-(4-bromophenyl)-2-hydroxyacetyl]amino]naphthalen-1-yl]-2-hydroxyacetamide

C26H20Br2N2O4 — CID 90155141

IUPAC2-(4-bromophenyl)-N-[5-[[2-(4-bromophenyl)-2-hydroxyacetyl]amino]naphthalen-1-yl]-2-hydroxyacetamide
SMILESO=C(Nc1cccc2c(NC(=O)C(O)c3ccc(Br)cc3)cccc12)C(O)c1ccc(Br)cc1
InChIInChI=1S/C26H20Br2N2O4/c27-17-11-7-15(8-12-17)23(31)25(33)29-21-5-1-3-19-20(21)4-2-6-22(19)30-26(34)24(32)16-9-13-18(28)14-10-16/h1-14,23-24,31-32H,(H,29,33)(H,30,34)
InChIKeyFZNKTHUIQKCASG-UHFFFAOYSA-N
MW584.26 g/mol
LogP5.71
Rot. Bonds6

About 2-(4-bromophenyl)-N-[5-[[2-(4-bromophenyl)-2-hydroxyacetyl]amino]naphthalen-1-yl]-2-hydroxyacetamide

2-(4-bromophenyl)-N-[5-[[2-(4-bromophenyl)-2-hydroxyacetyl]amino]naphthalen-1-yl]-2-hydroxyacetamide (PubChem CID 90155141) has the molecular formula C26H20Br2N2O4 and a molecular weight of 584.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[5-[[2-(4-bromophenyl)-2-hydroxyacetyl]amino]naphthalen-1-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[5-[[2-(4-bromophenyl)-2-hydroxyacetyl]amino]naphthalen-1-yl]-2-hydroxyacetamide
PubChem CID90155141
Molecular FormulaC26H20Br2N2O4
Molecular Weight584.26 g/mol
Exact Mass581.98
IUPAC Name2-(4-bromophenyl)-N-[5-[[2-(4-bromophenyl)-2-hydroxyacetyl]amino]naphthalen-1-yl]-2-hydroxyacetamide
SMILESO=C(Nc1cccc2c(NC(=O)C(O)c3ccc(Br)cc3)cccc12)C(O)c1ccc(Br)cc1
InChIInChI=1S/C26H20Br2N2O4/c27-17-11-7-15(8-12-17)23(31)25(33)29-21-5-1-3-19-20(21)4-2-6-22(19)30-26(34)24(32)16-9-13-18(28)14-10-16/h1-14,23-24,31-32H,(H,29,33)(H,30,34)
InChIKeyFZNKTHUIQKCASG-UHFFFAOYSA-N
XLogP5.71
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.26
LogP ≤ 55.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-hydroxy-2-phenylacetamide
CID 82130440
(2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide
CID 7785389
2-(4-bromophenyl)-2-hydroxyacetate
CID 3613236
N-(2-bromo-5-chlorophenyl)-2-hydroxy-2-phenylacetamide
CID 114038606
1-[1-(4-bromophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 3676665
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
2-bromo-2-fluoro-N-naphthalen-1-ylacetamide
CID 163361767
N-[2-(ethylaminomethyl)phenyl]-2-hydroxy-2-phenylacetamide
CID 43809215
N-(4-bromonaphthalen-1-yl)-2-phenylpropanamide
CID 2930699
2-bromo-2-(4-bromophenyl)-N-methylacetamide
CID 10470448
(3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide
CID 132555355
(2R)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide
CID 97250851

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[5-[[2-(4-bromophenyl)-2-hydroxyacetyl]amino]naphthalen-1-yl]-2-hydroxyacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[5-[[2-(4-bromophenyl)-2-hydroxyacetyl]amino]naphthalen-1-yl]-2-hydroxyacetamide (CID 90155141) is 2-(4-bromophenyl)-N-[5-[[2-(4-bromophenyl)-2-hydroxyacetyl]amino]naphthalen-1-yl]-2-hydroxyacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[5-[[2-(4-bromophenyl)-2-hydroxyacetyl]amino]naphthalen-1-yl]-2-hydroxyacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[5-[[2-(4-bromophenyl)-2-hydroxyacetyl]amino]naphthalen-1-yl]-2-hydroxyacetamide is O=C(Nc1cccc2c(NC(=O)C(O)c3ccc(Br)cc3)cccc12)C(O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[5-[[2-(4-bromophenyl)-2-hydroxyacetyl]amino]naphthalen-1-yl]-2-hydroxyacetamide?
The InChIKey is FZNKTHUIQKCASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Br2N2O4/c27-17-11-7-15(8-12-17)23(31)25(33)29-21-5-1-3-19-20(21)4-2-6-22(19)30-26(34)24(32)16-9-13-18(28)14-10-16/h1-14,23-24,31-32H,(H,29,33)(H,30,34).
What are the key properties of 2-(4-bromophenyl)-N-[5-[[2-(4-bromophenyl)-2-hydroxyacetyl]amino]naphthalen-1-yl]-2-hydroxyacetamide?
2-(4-bromophenyl)-N-[5-[[2-(4-bromophenyl)-2-hydroxyacetyl]amino]naphthalen-1-yl]-2-hydroxyacetamide has a molecular weight of 584.26 g/mol, XLogP of 5.71, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[5-[[2-(4-bromophenyl)-2-hydroxyacetyl]amino]naphthalen-1-yl]-2-hydroxyacetamide is sourced from PubChem (CID 90155141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).